BDBM50280241 (3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate

SMILES: N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O

InChI Key: InChIKey=RPEBFFQWTDZBGR-PBXRRBTRSA-K

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50280241   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280241 ((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...) Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against EPSP synthase				Bioorg Med Chem Lett 2: 1435-1440 (1992) Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280241 ((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...) Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
5-enolpyruvylshikimate-3-phosphate synthase (Escherichia coli (strain K12))	BDBM50280241 ((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...) Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).				Bioorg Med Chem Lett 3: 2857-2862 (1993) Article DOI: 10.1016/S0960-894X(01)80779-4 BindingDB Entry DOI: 10.7270/Q2SX6D43
					More data for this Ligand-Target Pair				3D Structure (docked)